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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(3-methoxyphenyl)thiourea Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3OS2/c1-26-18-6-4-5-17(14-18)24-22(27)23-16-11-9-15(10-12-16)13-21-25-19-7-2-3-8-20(19)28-21/h2-12,14H,13H2,1H3,(H2,23,24,27)