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

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-phenoxyphenyl)thiourea Formula: C27H21N3OS2 MolecularWeight: 467.60514

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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)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H21N3OS2/c1-18-7-16-24-25(17-18)33-26(30-24)19-8-10-20(11-9-19)28-27(32)29-21-12-14-23(15-13-21)31-22-5-3-2-4-6-22/h2-17H,1H3,(H2,28,29,32)