N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)C

InChI

InChI=1S/C25H26N4O3S/c1-17-5-6-19(16-18(17)2)23(30)27-25(33)26-20-7-9-21(10-8-20)28-11-13-29(14-12-28)24(31)22-4-3-15-32-22/h3-10,15-16H,11-14H2,1-2H3,(H2,26,27,30,33)