3-chloranyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H21ClN4O2S3 MolecularWeight: 541.10784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H21ClN4O2S3/c26-21-18-4-1-2-5-19(18)35-22(21)23(31)28-25(33)27-16-7-9-17(10-8-16)29-11-13-30(14-12-29)24(32)20-6-3-15-34-20/h1-10,15H,11-14H2,(H2,27,28,31,33)