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

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]thiourea Openeye Name: 1-(4-butyl-2-methyl-phenyl)-3-[[4-(thiadiazol-4-yl)phenyl]methyl]thiourea CAS Name: 1-(4-butyl-2-methylphenyl)-3-[[4-(4-thiadiazolyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-butyl-2-methylphenyl)-3-[[4-(thiadiazol-4-yl)phenyl]methyl]thiourea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-[4-(thiadiazol-4-yl)benzyl]thiourea Formula: C21H24N4S2 MolecularWeight: 396.57206

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4S2/c1-3-4-5-16-8-11-19(15(2)12-16)23-21(26)22-13-17-6-9-18(10-7-17)20-14-27-25-24-20/h6-12,14H,3-5,13H2,1-2H3,(H2,22,23,26)