N-(4-butylphenyl)-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(1-naphthylmethyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(1-naphthalenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(1-naphthylmethyl)piperazine-1-carbothioamide Formula: C26H31N3S MolecularWeight: 417.60944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H31N3S/c1-2-3-7-21-12-14-24(15-13-21)27-26(30)29-18-16-28(17-19-29)20-23-10-6-9-22-8-4-5-11-25(22)23/h4-6,8-15H,2-3,7,16-20H2,1H3,(H,27,30)