N-(4-nitrophenyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-nitrophenyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide Openeye Name: N-(4-nitrophenyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide CAS Name: N-(4-nitrophenyl)-4-(2-phenoxyethyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-nitrophenyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide Traditional Name: N-(4-nitrophenyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c24-23(25)17-8-6-16(7-9-17)20-19(27)22-12-10-21(11-13-22)14-15-26-18-4-2-1-3-5-18/h1-9H,10-15H2,(H,20,27)