4-(azepan-1-ylsulfonyl)-N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: N-(3-allyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: N-(3-allyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)N2CC=C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)N2CC=C

InChI

InChI=1S/C25H29N3O3S2/c1-4-13-28-22-16-18(2)19(3)17-23(22)32-25(28)26-24(29)20-9-11-21(12-10-20)33(30,31)27-14-7-5-6-8-15-27/h4,9-12,16-17H,1,5-8,13-15H2,2-3H3