2-[butan-2-yl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[butan-2-yl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-benzyl-2-[(4-methylsulfanylphenyl)carbamoyl-sec-butyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[butan-2-yl-[[4-(methylthio)anilino]-oxomethyl]amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-benzyl-2-[butan-2-yl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-benzyl-2-[[4-(methylthio)phenyl]carbamoyl-sec-butyl-amino]-N-(2-thenyl)acetamide Formula: C26H31N3O2S2 MolecularWeight: 481.67324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C26H31N3O2S2/c1-4-20(2)29(26(31)27-22-12-14-23(32-3)15-13-22)19-25(30)28(18-24-11-8-16-33-24)17-21-9-6-5-7-10-21/h5-16,20H,4,17-19H2,1-3H3,(H,27,31)