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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C24H25ClN4O2S2 MolecularWeight: 501.0639

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C24H25ClN4O2S2/c1-2-5-20(30)29-14-12-28(13-15-29)17-10-8-16(9-11-17)26-24(32)27-23(31)22-21(25)18-6-3-4-7-19(18)33-22/h3-4,6-11H,2,5,12-15H2,1H3,(H2,26,27,31,32)