1-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]thiourea CAS Name: 1-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]amino]-3-p-cumenyl-thiourea Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-12(2)13-3-5-14(6-4-13)21-20(31)23-22-18(26)10-24-16-9-15(25(28)29)7-8-17(16)30-11-19(24)27/h3-9,12H,10-11H2,1-2H3,(H,22,26)(H2,21,23,31)