N-[4,5-dimethyl-3-[(S)-(4-methylsulfanylphenyl)-phenylazanyl-methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[4,5-dimethyl-3-[(S)-(4-methylsulfanylphenyl)-phenylazanyl-methyl]thiophen-2-yl]benzamide Openeye Name: N-[3-[(S)-anilino-(4-methylsulfanylphenyl)methyl]-4,5-dimethyl-2-thienyl]benzamide CAS Name: N-[3-[(S)-anilino-[4-(methylthio)phenyl]methyl]-4,5-dimethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(S)-anilino-(4-methylsulfanylphenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide Traditional Name: N-[3-[(S)-anilino-[4-(methylthio)phenyl]methyl]-4,5-dimethyl-2-thienyl]benzamide Formula: C27H26N2OS2 MolecularWeight: 458.63814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=C(C=C2)SC)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC=C(C=C2)SC)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N2OS2/c1-18-19(2)32-27(29-26(30)21-10-6-4-7-11-21)24(18)25(28-22-12-8-5-9-13-22)20-14-16-23(31-3)17-15-20/h4-17,25,28H,1-3H3,(H,29,30)/t25-/m0/s1