methyl 4-[[(9-ethylcarbazol-3-yl)methyl-methyl-carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[(9-ethylcarbazol-3-yl)methyl-methyl-carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[(9-ethylcarbazol-3-yl)methyl-methyl-carbamothioyl]amino]butanoate CAS Name: 4-[[[(9-ethyl-3-carbazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(9-ethylcarbazol-3-yl)methyl-methylcarbamothioyl]amino]butanoate Traditional Name: 4-[[(9-ethylcarbazol-3-yl)methyl-methyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN(C)C(=S)NCCCC(=O)OC)C3=CC=CC=C31

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN(C)C(=S)NCCCC(=O)OC)C3=CC=CC=C31

InChI

InChI=1S/C22H27N3O2S/c1-4-25-19-9-6-5-8-17(19)18-14-16(11-12-20(18)25)15-24(2)22(28)23-13-7-10-21(26)27-3/h5-6,8-9,11-12,14H,4,7,10,13,15H2,1-3H3,(H,23,28)