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

Systemtic Name: 1-butyl-3-[3-(butylcarbamothioylamino)-4-methyl-phenyl]thiourea Openeye Name: 1-butyl-3-[3-(butylcarbamothioylamino)-4-methyl-phenyl]thiourea CAS Name: 1-butyl-3-[3-[[butylamino(sulfanylidene)methyl]amino]-4-methylphenyl]thiourea IUPAC Name: 1-butyl-3-[3-(butylcarbamothioylamino)-4-methylphenyl]thiourea Traditional Name: 1-butyl-3-[3-(butylthiocarbamoylamino)-4-methyl-phenyl]thiourea Formula: C17H28N4S2 MolecularWeight: 352.56102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4S2/c1-4-6-10-18-16(22)20-14-9-8-13(3)15(12-14)21-17(23)19-11-7-5-2/h8-9,12H,4-7,10-11H2,1-3H3,(H2,18,20,22)(H2,19,21,23)