4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]-N-cyclohexyl-butanamide

Systemtic Name: 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]-N-cyclohexyl-butanamide Openeye Name: 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]-N-cyclohexyl-butanamide CAS Name: 4-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]-(3,3-diphenylpropyl)amino]-N-cyclohexylbutanamide IUPAC Name: 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]-N-cyclohexylbutanamide Traditional Name: 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]-N-cyclohexyl-butyramide Formula: C33H38N4O2S MolecularWeight: 554.74542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCCN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(CC1)NC(=O)CCCN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C33H38N4O2S/c38-31(34-27-17-8-3-9-18-27)21-12-23-37(33(39)36-32-35-29-19-10-11-20-30(29)40-32)24-22-28(25-13-4-1-5-14-25)26-15-6-2-7-16-26/h1-2,4-7,10-11,13-16,19-20,27-28H,3,8-9,12,17-18,21-24H2,(H,34,38)(H,35,36,39)