1-[2-methyl-4-[3-methyl-4-(phenylcarbamothioylamino)phenyl]phenyl]-3-phenyl-thiourea

Systemtic Name: 1-[2-methyl-4-[3-methyl-4-(phenylcarbamothioylamino)phenyl]phenyl]-3-phenyl-thiourea Openeye Name: 1-[2-methyl-4-[3-methyl-4-(phenylcarbamothioylamino)phenyl]phenyl]-3-phenyl-thiourea CAS Name: 1-[4-[4-[[anilino(sulfanylidene)methyl]amino]-3-methylphenyl]-2-methylphenyl]-3-phenylthiourea IUPAC Name: 1-[2-methyl-4-[3-methyl-4-(phenylcarbamothioylamino)phenyl]phenyl]-3-phenylthiourea Traditional Name: 1-[2-methyl-4-[3-methyl-4-(phenylthiocarbamoylamino)phenyl]phenyl]-3-phenyl-thiourea Formula: C28H26N4S2 MolecularWeight: 482.66284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=S)NC3=CC=CC=C3)C)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=S)NC3=CC=CC=C3)C)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C28H26N4S2/c1-19-17-21(13-15-25(19)31-27(33)29-23-9-5-3-6-10-23)22-14-16-26(20(2)18-22)32-28(34)30-24-11-7-4-8-12-24/h3-18H,1-2H3,(H2,29,31,33)(H2,30,32,34)