N-[6-[3-[(4-phenylphenyl)methylamino]propanoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[3-[(4-phenylphenyl)methylamino]propanoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[6-[3-[(4-phenylphenyl)methylamino]propanoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[6-[[1-oxo-3-[(4-phenylphenyl)methylamino]propyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[6-[3-[(4-phenylphenyl)methylamino]propanoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[6-[3-[(4-phenylbenzyl)amino]propanoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Formula: C30H32N4O2S MolecularWeight: 512.66568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)CCNCC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)CCNCC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H32N4O2S/c35-28(17-18-31-20-21-11-13-23(14-12-21)22-7-3-1-4-8-22)32-25-15-16-26-27(19-25)37-30(33-26)34-29(36)24-9-5-2-6-10-24/h1,3-4,7-8,11-16,19,24,31H,2,5-6,9-10,17-18,20H2,(H,32,35)(H,33,34,36)