N-[2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[(2-cumidino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S2/c1-18(2)20-9-11-21(12-10-20)28-26(32)17-33-27-30-23-14-13-22(16-24(23)34-27)29-25(31)15-8-19-6-4-3-5-7-19/h3-7,9-14,16,18H,8,15,17H2,1-2H3,(H,28,32)(H,29,31)