ethyl 5-(phenylmethyl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-pyrrolidinosulfonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H27N3O4S3 MolecularWeight: 529.69458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H27N3O4S3/c1-2-32-24(29)22-17-20(16-18-8-4-3-5-9-18)34-23(22)27-25(33)26-19-10-12-21(13-11-19)35(30,31)28-14-6-7-15-28/h3-5,8-13,17H,2,6-7,14-16H2,1H3,(H2,26,27,33)