1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]thiourea

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(p-tolylmethyl)thiourea CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylbenzyl)thiourea Formula: C23H21N3S2 MolecularWeight: 403.56294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C23H21N3S2/c1-15-3-6-17(7-4-15)14-24-23(27)25-19-10-8-18(9-11-19)22-26-20-12-5-16(2)13-21(20)28-22/h3-13H,14H2,1-2H3,(H2,24,25,27)