methyl 5-methyl-3-[(phenylmethyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-methyl-3-[(phenylmethyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-(benzylcarbamothioylamino)-5-methyl-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzylcarbamothioylamino)-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-(benzylthiocarbamoylamino)-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=S)NCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=S)NCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H19N3O2S/c1-12-8-9-15-14(10-12)16(17(21-15)18(23)24-2)22-19(25)20-11-13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3,(H2,20,22,25)