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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]thiourea CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]thiourea Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C=CCNC(=S)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21N3O4S2/c1-2-10-20-19(27)21-14-4-6-15(7-5-14)22-28(23,24)16-8-9-17-18(13-16)26-12-3-11-25-17/h2,4-9,13,22H,1,3,10-12H2,(H2,20,21,27)