4-(4-phenylpiperazin-1-yl)benzenecarbothioamide

Systemtic Name: 4-(4-phenylpiperazin-1-yl)benzenecarbothioamide Openeye Name: 4-(4-phenylpiperazin-1-yl)benzenecarbothioamide CAS Name: 4-(4-phenyl-1-piperazinyl)benzenecarbothioamide IUPAC Name: 4-(4-phenylpiperazin-1-yl)benzenecarbothioamide Traditional Name: 4-(4-phenylpiperazino)thiobenzamide Formula: C17H19N3S MolecularWeight: 297.41786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C=C3)C(=S)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C17H19N3S/c18-17(21)14-6-8-16(9-7-14)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9H,10-13H2,(H2,18,21)