methyl 3-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]carbamothioylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]carbamothioylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]carbamothioylamino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]anilino]-sulfanylidenemethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]carbamothioylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C26H29N3O4S2 MolecularWeight: 511.65616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC)OCCN4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC)OCCN4CCCC4

InChI

InChI=1S/C26H29N3O4S2/c1-31-22-16-19(10-11-21(22)33-15-14-29-12-6-7-13-29)27-26(34)28-20-17-23(18-8-4-3-5-9-18)35-24(20)25(30)32-2/h3-5,8-11,16-17H,6-7,12-15H2,1-2H3,(H2,27,28,34)