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

Systemtic Name: methyl 5-(phenylmethyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[sulfanylidene-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O2S3 MolecularWeight: 443.60534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC4=C(S3)CCCC4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC4=C(S3)CCCC4

InChI

InChI=1S/C21H21N3O2S3/c1-26-19(25)15-12-14(11-13-7-3-2-4-8-13)28-18(15)23-20(27)24-21-22-16-9-5-6-10-17(16)29-21/h2-4,7-8,12H,5-6,9-11H2,1H3,(H2,22,23,24,27)