1-butyl-3-[4-(butylcarbamothioylamino)-2-chloranyl-phenyl]thiourea

Systemtic Name: 1-butyl-3-[4-(butylcarbamothioylamino)-2-chloranyl-phenyl]thiourea Openeye Name: 1-butyl-3-[4-(butylcarbamothioylamino)-2-chloro-phenyl]thiourea CAS Name: 1-butyl-3-[4-[[butylamino(sulfanylidene)methyl]amino]-2-chlorophenyl]thiourea IUPAC Name: 1-butyl-3-[4-(butylcarbamothioylamino)-2-chlorophenyl]thiourea Traditional Name: 1-butyl-3-[4-(butylthiocarbamoylamino)-2-chloro-phenyl]thiourea Formula: C16H25ClN4S2 MolecularWeight: 372.9795

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCCCC)Cl

Isomeric SMILES

CCCCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCCCC)Cl

InChI

InChI=1S/C16H25ClN4S2/c1-3-5-9-18-15(22)20-12-7-8-14(13(17)11-12)21-16(23)19-10-6-4-2/h7-8,11H,3-6,9-10H2,1-2H3,(H2,18,20,22)(H2,19,21,23)