1-(3-methylbutyl)-3-[(phenylmethyl)carbamothioylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[(phenylmethyl)carbamothioylamino]thiourea Openeye Name: 1-benzyl-3-(isopentylcarbamothioylamino)thiourea CAS Name: 1-(3-methylbutyl)-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-benzyl-3-(3-methylbutylcarbamothioylamino)thiourea Traditional Name: 1-benzyl-3-(isoamylthiocarbamoylamino)thiourea Formula: C14H22N4S2 MolecularWeight: 310.48128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)CCNC(=S)NNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C14H22N4S2/c1-11(2)8-9-15-13(19)17-18-14(20)16-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,15,17,19)(H2,16,18,20)