methyl N-[[4-phenylsulfanyl-2-(2-pyrrolidin-1-ylethanoylamino)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[4-phenylsulfanyl-2-(2-pyrrolidin-1-ylethanoylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-phenylsulfanyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]-4-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-phenylsulfanyl-2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(phenylthio)-2-[(2-pyrrolidinoacetyl)amino]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)CN3CCCC3

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)CN3CCCC3

InChI

InChI=1S/C21H24N4O3S2/c1-28-21(27)24-20(29)23-17-10-9-16(30-15-7-3-2-4-8-15)13-18(17)22-19(26)14-25-11-5-6-12-25/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,26)(H2,23,24,27,29)