2-[(7-chloranyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamothioylamino]ethyl benzoate

Systemtic Name: 2-[(7-chloranyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamothioylamino]ethyl benzoate Openeye Name: 2-[(7-chlorotetralin-1-yl)carbamothioylamino]ethyl benzoate CAS Name: benzoic acid 2-[[[(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-[(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamothioylamino]ethyl benzoate Traditional Name: benzoic acid 2-[(7-chlorotetralin-1-yl)thiocarbamoylamino]ethyl ester Formula: C20H21ClN2O2S MolecularWeight: 388.91094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C=CC(=C2)Cl)NC(=S)NCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(C2=C(C1)C=CC(=C2)Cl)NC(=S)NCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN2O2S/c21-16-10-9-14-7-4-8-18(17(14)13-16)23-20(26)22-11-12-25-19(24)15-5-2-1-3-6-15/h1-3,5-6,9-10,13,18H,4,7-8,11-12H2,(H2,22,23,26)