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

Systemtic Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(9-ethylcarbazol-3-yl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(9-ethyl-3-carbazolyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(9-ethylcarbazol-3-yl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-[(9-ethylcarbazol-3-yl)thio]propionamide Formula: C30H36N4O2S MolecularWeight: 516.69744

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H36N4O2S/c1-5-34-28-14-10-9-13-25(28)26-19-24(15-16-29(26)34)37-21-27(31-22(2)35)30(36)33(18-17-32(3)4)20-23-11-7-6-8-12-23/h6-16,19,27H,5,17-18,20-21H2,1-4H3,(H,31,35)/t27-/m1/s1