(3S)-3-[[(4-butylphenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide

Systemtic Name: (3S)-3-[[(4-butylphenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide Openeye Name: (3S)-3-[[(4-butylphenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide CAS Name: (3S)-3-[[[(4-butylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[[(4-butylphenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide Traditional Name: (3S)-3-[[(4-butylphenyl)thiocarbamoylamino]carbamoyl]piperidine-1-carboxamide Formula: C18H27N5O2S MolecularWeight: 377.50428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2CCCN(C2)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)[C@H]2CCCN(C2)C(=O)N

InChI

InChI=1S/C18H27N5O2S/c1-2-3-5-13-7-9-15(10-8-13)20-18(26)22-21-16(24)14-6-4-11-23(12-14)17(19)25/h7-10,14H,2-6,11-12H2,1H3,(H2,19,25)(H,21,24)(H2,20,22,26)/t14-/m0/s1