1-butyl-3-[4-[[(phenylmethyl)carbamothioylamino]carbamoyl]-1,3-thiazol-2-yl]thiourea

Systemtic Name: 1-butyl-3-[4-[[(phenylmethyl)carbamothioylamino]carbamoyl]-1,3-thiazol-2-yl]thiourea Openeye Name: 1-benzyl-3-[[2-(butylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea CAS Name: 1-butyl-3-[4-[oxo-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazo]methyl]-2-thiazolyl]thiourea IUPAC Name: 1-benzyl-3-[[2-(butylcarbamothioylamino)-1,3-thiazole-4-carbonyl]amino]thiourea Traditional Name: 1-benzyl-3-[[2-(butylthiocarbamoylamino)thiazole-4-carbonyl]amino]thiourea Formula: C17H22N6OS3 MolecularWeight: 422.59118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H22N6OS3/c1-2-3-9-18-15(25)21-17-20-13(11-27-17)14(24)22-23-16(26)19-10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,22,24)(H2,19,23,26)(H2,18,20,21,25)