2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N'-phenyl-butanediamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N'-phenyl-butanediamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N'-phenyl-butanediamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-methyl-N'-phenylbutanediamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N'-phenylbutanediamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-methyl-N'-phenyl-succinamide Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC(=O)NC1=CC=CC=C1)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=O)C(CC(=O)NC1=CC=CC=C1)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O2S2/c1-19-17(23)15(11-16(22)20-12-7-3-2-4-8-12)25-18-21-13-9-5-6-10-14(13)24-18/h2-10,15H,11H2,1H3,(H,19,23)(H,20,22)