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

Systemtic Name: N-[6-[3-[(4-phenylphenyl)methylamino]propanoylamino]-1,3-benzothiazol-2-yl]cyclopentanecarboxamide Openeye Name: N-[6-[3-[(4-phenylphenyl)methylamino]propanoylamino]-1,3-benzothiazol-2-yl]cyclopentanecarboxamide CAS Name: N-[6-[[1-oxo-3-[(4-phenylphenyl)methylamino]propyl]amino]-1,3-benzothiazol-2-yl]cyclopentanecarboxamide IUPAC Name: N-[6-[3-[(4-phenylphenyl)methylamino]propanoylamino]-1,3-benzothiazol-2-yl]cyclopentanecarboxamide Traditional Name: N-[6-[3-[(4-phenylbenzyl)amino]propanoylamino]-1,3-benzothiazol-2-yl]cyclopentanecarboxamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)CCNCC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)CCNCC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2S/c34-27(16-17-30-19-20-10-12-22(13-11-20)21-6-2-1-3-7-21)31-24-14-15-25-26(18-24)36-29(32-25)33-28(35)23-8-4-5-9-23/h1-3,6-7,10-15,18,23,30H,4-5,8-9,16-17,19H2,(H,31,34)(H,32,33,35)