2-[[(2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-4-(methylthio)-2-(m-toluoylamino)butanoyl]amino]thiophene-3-carboxamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C18H21N3O3S2/c1-11-4-3-5-12(10-11)16(23)20-14(7-8-25-2)17(24)21-18-13(15(19)22)6-9-26-18/h3-6,9-10,14H,7-8H2,1-2H3,(H2,19,22)(H,20,23)(H,21,24)/t14-/m1/s1