1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]carbonylamino]-3-(2-methoxyphenyl)thiourea

Systemtic Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]carbonylamino]-3-(2-methoxyphenyl)thiourea Openeye Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]amino]-3-(2-methoxyphenyl)thiourea CAS Name: 1-[[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-oxomethyl]amino]-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]amino]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]amino]-3-(2-methoxyphenyl)thiourea Formula: C24H24N4O6S2 MolecularWeight: 528.60056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H24N4O6S2/c1-32-20-6-3-2-5-19(20)25-24(35)27-26-23(29)16-7-9-17(10-8-16)28-36(30,31)18-11-12-21-22(15-18)34-14-4-13-33-21/h2-3,5-12,15,28H,4,13-14H2,1H3,(H,26,29)(H2,25,27,35)