1-(3-methylbutyl)-3-[(Z)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[(Z)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea Openeye Name: 1-isopentyl-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea CAS Name: 1-(3-methylbutyl)-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea Traditional Name: 1-isoamyl-3-[(Z)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NN=C(C)C1=CC2=C(C=C1)OCC(=O)N2

Isomeric SMILES

CC(C)CCNC(=S)N/N=C(/C)\C1=CC2=C(C=C1)OCC(=O)N2

InChI

InChI=1S/C16H22N4O2S/c1-10(2)6-7-17-16(23)20-19-11(3)12-4-5-14-13(8-12)18-15(21)9-22-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,21)(H2,17,20,23)/b19-11-