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

Systemtic Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]thiourea CAS Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]thiourea Traditional Name: 1-benzyl-3-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]thiourea Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC=CC=C1)/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21N3O2S/c1-14(16-8-9-17-18(12-16)24-11-5-10-23-17)21-22-19(25)20-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H2,20,22,25)/b21-14-