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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=NC3=C(S2)CCCC3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=NC3=C(S2)CCCC3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S3/c1-12-16(13-8-4-3-5-9-13)17(19(25)26-2)18(28-12)23-20(27)24-21-22-14-10-6-7-11-15(14)29-21/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,22,23,24,27)