methyl 5-methyl-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 5-methyl-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate Openeye Name: methyl 3-(allylcarbamothioylamino)-5-methyl-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate Traditional Name: 3-(allylthiocarbamoylamino)-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=S)NCC=C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=S)NCC=C)C(=O)OC

InChI

InChI=1S/C15H17N3O2S/c1-4-7-16-15(21)18-12-10-8-9(2)5-6-11(10)17-13(12)14(19)20-3/h4-6,8,17H,1,7H2,2-3H3,(H2,16,18,21)