N-[(2R)-1-[[(2S)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[(2R)-1-[[(2S)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[(1R)-1-[[(2S)-2-(dimethylamino)-2-(2-thienyl)ethyl]carbamoyl]-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[(2R)-1-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[(2R)-1-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[(1R)-1-[[(2S)-2-(dimethylamino)-2-(2-thienyl)ethyl]carbamoyl]-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1OC)C2=CC=CS2

Isomeric SMILES

CN(C)[C@@H](CNC(=O)[C@@H](CCSC)NC(=O)C1=CC=CC=C1OC)C2=CC=CS2

InChI

InChI=1S/C21H29N3O3S2/c1-24(2)17(19-10-7-12-29-19)14-22-21(26)16(11-13-28-4)23-20(25)15-8-5-6-9-18(15)27-3/h5-10,12,16-17H,11,13-14H2,1-4H3,(H,22,26)(H,23,25)/t16-,17+/m1/s1