N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H24N4O2S/c27-20(23-11-10-16-6-2-1-3-7-16)15-24-21(28)17-8-9-18-19(14-17)29-22(25-18)26-12-4-5-13-26/h4-6,8-9,12-14H,1-3,7,10-11,15H2,(H,23,27)(H,24,28)