1-(1,3-benzodioxol-5-yl)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-indolin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-indolin-1-ylsulfonylphenyl)thiourea Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19N3O4S2/c26-31(27,25-12-11-15-3-1-2-4-19(15)25)18-8-5-16(6-9-18)23-22(30)24-17-7-10-20-21(13-17)29-14-28-20/h1-10,13H,11-12,14H2,(H2,23,24,30)