N-(1,3-benzothiazol-2-yl)-N-[4-[(E)-4-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]-4-oxidanylidene-but-2-enoyl]-3-methoxy-phenoxy]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[4-[(E)-4-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]-4-oxidanylidene-but-2-enoyl]-3-methoxy-phenoxy]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[4-[(E)-4-[4-(3,4-dimethylpiperazin-1-yl)-1-piperidyl]-4-oxo-but-2-enoyl]-3-methoxy-phenoxy]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[4-[(E)-4-[4-(3,4-dimethyl-1-piperazinyl)-1-piperidinyl]-1,4-dioxobut-2-enyl]-3-methoxyphenoxy]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[4-[(E)-4-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]-4-oxobut-2-enoyl]-3-methoxyphenoxy]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[4-[(E)-4-[4-(3,4-dimethylpiperazino)piperidino]-4-keto-but-2-enoyl]-3-methoxy-phenoxy]acetamide Formula: C31H37N5O5S MolecularWeight: 591.72098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C)C2CCN(CC2)C(=O)C=CC(=O)C3=C(C=C(C=C3)ON(C4=NC5=CC=CC=C5S4)C(=O)C)OC

Isomeric SMILES

CC1CN(CCN1C)C2CCN(CC2)C(=O)/C=C/C(=O)C3=C(C=C(C=C3)ON(C4=NC5=CC=CC=C5S4)C(=O)C)OC

InChI

InChI=1S/C31H37N5O5S/c1-21-20-35(18-17-33(21)3)23-13-15-34(16-14-23)30(39)12-11-27(38)25-10-9-24(19-28(25)40-4)41-36(22(2)37)31-32-26-7-5-6-8-29(26)42-31/h5-12,19,21,23H,13-18,20H2,1-4H3/b12-11+