N-(3-chloranyl-2-methyl-phenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C17H21ClN3S2+ MolecularWeight: 366.95174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C17H20ClN3S2/c1-13-15(18)3-2-4-16(13)19-17(22)21-8-6-20(7-9-21)11-14-5-10-23-12-14/h2-5,10,12H,6-9,11H2,1H3,(H,19,22)/p+1