1-(1,3-benzodioxol-5-yl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17N3O2S2/c1-13-2-8-17-20(10-13)29-21(25-17)14-3-5-15(6-4-14)23-22(28)24-16-7-9-18-19(11-16)27-12-26-18/h2-11H,12H2,1H3,(H2,23,24,28)