N-(3-chloranyl-4-methyl-phenyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(3-thienylmethyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-(3-thiophenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-(3-thenyl)piperazine-1-carbothioamide Formula: C17H20ClN3S2 MolecularWeight: 365.9438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=CSC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=CSC=C3)Cl

InChI

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