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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c1-2-26-18-6-4-3-5-17(18)20-19(27)22-13-11-21(12-14-22)15-7-9-16(10-8-15)23(24)25/h3-10H,2,11-14H2,1H3,(H,20,27)