3,4-dimethyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: 3,4-dimethyl-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C27H31N4OS+ MolecularWeight: 459.62624

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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)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H30N4OS/c1-20-8-9-23(18-21(20)2)26(32)29-27(33)28-24-10-12-25(13-11-24)31-16-14-30(15-17-31)19-22-6-4-3-5-7-22/h3-13,18H,14-17,19H2,1-2H3,(H2,28,29,32,33)/p+1