5-[(4-methylsulfanylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[[4-(methylthio)anilino]-oxomethyl]amino]-N-(1-phenylethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[[4-(methylthio)phenyl]carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidino-benzamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)SC)N4CCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)SC)N4CCCC4

InChI

InChI=1S/C27H30N4O2S/c1-19(20-8-4-3-5-9-20)28-26(32)24-18-22(12-15-25(24)31-16-6-7-17-31)30-27(33)29-21-10-13-23(34-2)14-11-21/h3-5,8-15,18-19H,6-7,16-17H2,1-2H3,(H,28,32)(H2,29,30,33)