N-[4-[(2S)-butan-2-yl]phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-[4-[(1S)-1-methylpropyl]phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O2S/c1-3-16(2)17-4-6-18(7-5-17)22-21(28)24-14-12-23(13-15-24)19-8-10-20(11-9-19)25(26)27/h4-11,16H,3,12-15H2,1-2H3,(H,22,28)/t16-/m0/s1