1-(4-butylphenyl)-3-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[4-(thiadiazol-4-yl)phenyl]methyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[[4-(4-thiadiazolyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[4-(thiadiazol-4-yl)phenyl]methyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[4-(thiadiazol-4-yl)benzyl]thiourea Formula: C20H22N4S2 MolecularWeight: 382.54548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C3=CSN=N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C3=CSN=N3

InChI

InChI=1S/C20H22N4S2/c1-2-3-4-15-7-11-18(12-8-15)22-20(25)21-13-16-5-9-17(10-6-16)19-14-26-24-23-19/h5-12,14H,2-4,13H2,1H3,(H2,21,22,25)