2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamothioylamino]ethyl benzoate

Systemtic Name: 2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamothioylamino]ethyl benzoate Openeye Name: 2-[(5-methoxytetralin-1-yl)carbamothioylamino]ethyl benzoate CAS Name: benzoic acid 2-[[[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamothioylamino]ethyl benzoate Traditional Name: benzoic acid 2-[(5-methoxytetralin-1-yl)thiocarbamoylamino]ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CCCC2NC(=S)NCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC2=C1CCCC2NC(=S)NCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-25-19-12-6-9-16-17(19)10-5-11-18(16)23-21(27)22-13-14-26-20(24)15-7-3-2-4-8-15/h2-4,6-9,12,18H,5,10-11,13-14H2,1H3,(H2,22,23,27)