1,3-bis[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea

Systemtic Name: 1,3-bis[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Openeye Name: 1,3-bis[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea CAS Name: 1,3-bis[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea IUPAC Name: 1,3-bis[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Traditional Name: 1,3-bis[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Formula: C29H22N4S3 MolecularWeight: 522.70678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)C5=NC6=C(S5)C=CC(=C6)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)C5=NC6=C(S5)C=CC(=C6)C

InChI

InChI=1S/C29H22N4S3/c1-17-3-13-25-23(15-17)32-27(35-25)19-5-9-21(10-6-19)30-29(34)31-22-11-7-20(8-12-22)28-33-24-16-18(2)4-14-26(24)36-28/h3-16H,1-2H3,(H2,30,31,34)