(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(9-ethylcarbazol-3-yl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(9-ethylcarbazol-3-yl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(9-ethylcarbazol-3-yl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-[(9-ethyl-3-carbazolyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(9-ethylcarbazol-3-yl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(9-ethylcarbazol-3-yl)thio]-N-piperonyl-propionamide Formula: C27H27N3O4S MolecularWeight: 489.58598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)NCC3=CC4=C(C=C3)OCO4)NC(=O)C)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)NCC3=CC4=C(C=C3)OCO4)NC(=O)C)C5=CC=CC=C51

InChI

InChI=1S/C27H27N3O4S/c1-3-30-23-7-5-4-6-20(23)21-13-19(9-10-24(21)30)35-15-22(29-17(2)31)27(32)28-14-18-8-11-25-26(12-18)34-16-33-25/h4-13,22H,3,14-16H2,1-2H3,(H,28,32)(H,29,31)/t22-/m1/s1