1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(2,5-dimethylphenyl)thiourea

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(2,5-dimethylphenyl)thiourea Formula: C23H21N3S2 MolecularWeight: 403.56294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

InChI

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