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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Traditional Name: 1-(4-chlorobenzyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Formula: C22H18ClN3S2 MolecularWeight: 423.98142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3S2/c1-14-2-11-19-20(12-14)28-21(26-19)16-5-9-18(10-6-16)25-22(27)24-13-15-3-7-17(23)8-4-15/h2-12H,13H2,1H3,(H2,24,25,27)