1-(4-butylphenyl)-3-[(3-chlorophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(3-chlorophenyl)carbamothioylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(3-chlorophenyl)carbamothioylamino]thiourea CAS Name: 1-[[(4-butylanilino)-sulfanylidenemethyl]amino]-3-(3-chlorophenyl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(3-chlorophenyl)carbamothioylamino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(3-chlorophenyl)thiocarbamoylamino]thiourea Formula: C18H21ClN4S2 MolecularWeight: 392.96914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H21ClN4S2/c1-2-3-5-13-8-10-15(11-9-13)20-17(24)22-23-18(25)21-16-7-4-6-14(19)12-16/h4,6-12H,2-3,5H2,1H3,(H2,20,22,24)(H2,21,23,25)