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

Systemtic Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-p-phenetyl-thiourea Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NN=C(C)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N/N=C(/C)\C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H23N3O3S/c1-3-24-17-8-6-16(7-9-17)21-20(27)23-22-14(2)15-5-10-18-19(13-15)26-12-4-11-25-18/h5-10,13H,3-4,11-12H2,1-2H3,(H2,21,23,27)/b22-14-