1-[4-[3-[(2-methylphenyl)amino]-2H-1,3,4-thiadiazol-2-yl]phenyl]-3-phenyl-thiourea

Systemtic Name: 1-[4-[3-[(2-methylphenyl)amino]-2H-1,3,4-thiadiazol-2-yl]phenyl]-3-phenyl-thiourea Openeye Name: 1-[4-[3-(2-methylanilino)-2H-1,3,4-thiadiazol-2-yl]phenyl]-3-phenyl-thiourea CAS Name: 1-[4-[3-(2-methylanilino)-2H-1,3,4-thiadiazol-2-yl]phenyl]-3-phenylthiourea IUPAC Name: 1-[4-[3-(2-methylanilino)-2H-1,3,4-thiadiazol-2-yl]phenyl]-3-phenylthiourea Traditional Name: 1-[4-[3-(o-toluidino)-2H-1,3,4-thiadiazol-2-yl]phenyl]-3-phenyl-thiourea Formula: C22H21N5S2 MolecularWeight: 419.56564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NN2C(SC=N2)C3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NN2C(SC=N2)C3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N5S2/c1-16-7-5-6-10-20(16)26-27-21(29-15-23-27)17-11-13-19(14-12-17)25-22(28)24-18-8-3-2-4-9-18/h2-15,21,26H,1H3,(H2,24,25,28)