N-cyclopropyl-4-[4-(phenylcarbonyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-cyclopropyl-4-[4-(phenylcarbonyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-benzoylphenyl)-N-cyclopropyl-piperazine-1-carbothioamide CAS Name: 4-(4-benzoylphenyl)-N-cyclopropyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-benzoylphenyl)-N-cyclopropylpiperazine-1-carbothioamide Traditional Name: 4-(4-benzoylphenyl)-N-cyclopropyl-piperazine-1-carbothioamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS/c25-20(16-4-2-1-3-5-16)17-6-10-19(11-7-17)23-12-14-24(15-13-23)21(26)22-18-8-9-18/h1-7,10-11,18H,8-9,12-15H2,(H,22,26)