1-(4-nitrophenyl)-3-(3-oxidanylidenebutyl)thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-(3-oxidanylidenebutyl)thiourea Openeye Name: 1-(4-nitrophenyl)-3-(3-oxobutyl)thiourea CAS Name: 1-(4-nitrophenyl)-3-(3-oxobutyl)thiourea IUPAC Name: 1-(4-nitrophenyl)-3-(3-oxobutyl)thiourea Traditional Name: 1-(3-ketobutyl)-3-(4-nitrophenyl)thiourea Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O3S/c1-8(15)6-7-12-11(18)13-9-2-4-10(5-3-9)14(16)17/h2-5H,6-7H2,1H3,(H2,12,13,18)