4-(1,4-diazepan-1-yl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-2-methyl-benzamide

Systemtic Name: 4-(1,4-diazepan-1-yl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-2-methyl-benzamide Openeye Name: 4-(1,4-diazepan-1-yl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-2-methyl-benzamide CAS Name: 4-(1,4-diazepan-1-yl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-2-methylbenzamide IUPAC Name: 4-(1,4-diazepan-1-yl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-2-methylbenzamide Traditional Name: 4-(1,4-diazepan-1-yl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-2-methyl-benzamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCNCC2)C(=O)NC3=NC4=C(C=CC(=C4S3)C5=CC=CC=C5)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCNCC2)C(=O)NC3=NC4=C(C=CC(=C4S3)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H28N4O2S/c1-18-17-20(31-15-6-13-28-14-16-31)9-10-21(18)26(32)30-27-29-24-23(33-2)12-11-22(25(24)34-27)19-7-4-3-5-8-19/h3-5,7-12,17,28H,6,13-16H2,1-2H3,(H,29,30,32)