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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]-3-phenyl-thiourea Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]-3-phenyl-thiourea CAS Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxobutyl]amino]-3-phenylthiourea IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]-3-phenylthiourea Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]-3-phenyl-thiourea Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)NNC(=S)NC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)NNC(=S)NC3=CC=CC=C3)OC1

InChI

InChI=1S/C20H24N4O5S2/c25-19(23-24-20(30)22-15-6-2-1-3-7-15)8-4-11-21-31(26,27)16-9-10-17-18(14-16)29-13-5-12-28-17/h1-3,6-7,9-10,14,21H,4-5,8,11-13H2,(H,23,25)(H2,22,24,30)