methyl 3-chloranyl-6-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[3-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C25H20ClN3O3S2 MolecularWeight: 510.0276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H20ClN3O3S2/c1-32-24(31)22-21(26)19-11-10-18(13-20(19)34-22)29-25(33)28-17-9-5-8-16(12-17)23(30)27-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,27,30)(H2,28,29,33)