N-methyl-N-[1-[4-[(4-phenyl-2-sulfanyl-phenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]ethanamide

Systemtic Name: N-methyl-N-[1-[4-[(4-phenyl-2-sulfanyl-phenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]ethanamide Openeye Name: N-methyl-N-[1-[4-[(4-phenyl-2-sulfanyl-phenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]acetamide CAS Name: N-[1-[4-[[(2-mercapto-4-phenylanilino)-oxomethyl]amino]phenyl]-3-pyrrolidinyl]-N-methylacetamide IUPAC Name: N-methyl-N-[1-[4-[(4-phenyl-2-sulfanylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]acetamide Traditional Name: N-[1-[4-[(2-mercapto-4-phenyl-phenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]-N-methyl-acetamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1CCN(C1)C2=CC=C(C=C2)NC(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4)S

Isomeric SMILES

CC(=O)N(C)C1CCN(C1)C2=CC=C(C=C2)NC(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4)S

InChI

InChI=1S/C26H28N4O2S/c1-18(31)29(2)23-14-15-30(17-23)22-11-9-21(10-12-22)27-26(32)28-24-13-8-20(16-25(24)33)19-6-4-3-5-7-19/h3-13,16,23,33H,14-15,17H2,1-2H3,(H2,27,28,32)