4-[(2-phenylazanylphenyl)carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: 4-[(2-phenylazanylphenyl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: 4-[(2-anilinophenyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[(2-anilinoanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylate IUPAC Name: 4-[(2-anilinophenyl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(2-anilinophenyl)thiocarbamoylamino]piperidine-1-carboxylate Formula: C19H21N4O2S- MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NC2=CC=CC=C2NC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CCC1NC(=S)NC2=CC=CC=C2NC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H22N4O2S/c24-19(25)23-12-10-15(11-13-23)21-18(26)22-17-9-5-4-8-16(17)20-14-6-2-1-3-7-14/h1-9,15,20H,10-13H2,(H,24,25)(H2,21,22,26)/p-1