1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-methyl-thiourea

Systemtic Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-methyl-thiourea Openeye Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-methyl-thiourea CAS Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-methylthiourea IUPAC Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-methylthiourea Traditional Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-methyl-thiourea Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C/C(=N/NC(=S)NC)/C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H17N3O2S/c1-9(15-16-13(19)14-2)10-4-5-11-12(8-10)18-7-3-6-17-11/h4-5,8H,3,6-7H2,1-2H3,(H2,14,16,19)/b15-9-