methyl 5-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H19N3O2S3 MolecularWeight: 429.57876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NC4=C(S3)CCCC4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NC4=C(S3)CCCC4

InChI

InChI=1S/C20H19N3O2S3/c1-25-18(24)13-11-16(12-7-3-2-4-8-12)27-17(13)22-19(26)23-20-21-14-9-5-6-10-15(14)28-20/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,21,22,23,26)