1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-thiourea Openeye Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoyl]amino]-3-phenyl-thiourea CAS Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,4-dioxobutyl]amino]-3-phenylthiourea IUPAC Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoyl]amino]-3-phenylthiourea Traditional Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butanoyl]amino]-3-phenyl-thiourea Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c24-16(14-7-9-17-18(13-14)27-12-4-11-26-17)8-10-19(25)22-23-20(28)21-15-5-2-1-3-6-15/h1-3,5-7,9,13H,4,8,10-12H2,(H,22,25)(H2,21,23,28)