methyl 2-[bis(prop-2-enyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[bis(prop-2-enyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(diallylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[bis(prop-2-enyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[bis(prop-2-enyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(diallylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H17N3O2S2 MolecularWeight: 347.45508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)N(CC=C)CC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)N(CC=C)CC=C

InChI

InChI=1S/C16H17N3O2S2/c1-4-8-19(9-5-2)16(22)18-15-17-12-7-6-11(14(20)21-3)10-13(12)23-15/h4-7,10H,1-2,8-9H2,3H3,(H,17,18,22)