N-[3-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)amino]-3-oxidanylidene-propyl]-4-bromanyl-benzamide

Systemtic Name: N-[3-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)amino]-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-[1,3-benzothiazol-2-yl(tetrahydrofuran-2-ylmethyl)amino]-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-[1,3-benzothiazol-2-yl(2-oxolanylmethyl)amino]-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)amino]-3-oxopropyl]-4-bromobenzamide Traditional Name: N-[3-[1,3-benzothiazol-2-yl(tetrahydrofurfuryl)amino]-3-keto-propyl]-4-bromo-benzamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)CCNC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)CCNC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O3S/c23-16-9-7-15(8-10-16)21(28)24-12-11-20(27)26(14-17-4-3-13-29-17)22-25-18-5-1-2-6-19(18)30-22/h1-2,5-10,17H,3-4,11-14H2,(H,24,28)