(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-methyl-propanamide CAS Name: (2S)-2-acetamido-3-[(9-ethyl-3-carbazolyl)thio]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-methylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(9-ethylcarbazol-3-yl)thio]-N-methyl-propionamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)N(C)CC3=CC=CC=C3)NC(=O)C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)N(C)CC3=CC=CC=C3)NC(=O)C)C4=CC=CC=C41

InChI

InChI=1S/C27H29N3O2S/c1-4-30-25-13-9-8-12-22(25)23-16-21(14-15-26(23)30)33-18-24(28-19(2)31)27(32)29(3)17-20-10-6-5-7-11-20/h5-16,24H,4,17-18H2,1-3H3,(H,28,31)/t24-/m1/s1