1-tert-butyl-3-[[3-nitro-4-[(phenylmethyl)amino]phenyl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[3-nitro-4-[(phenylmethyl)amino]phenyl]carbonylamino]thiourea Openeye Name: 1-[[4-(benzylamino)-3-nitro-benzoyl]amino]-3-tert-butyl-thiourea CAS Name: 1-tert-butyl-3-[[[3-nitro-4-[(phenylmethyl)amino]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[[4-(benzylamino)-3-nitrobenzoyl]amino]-3-tert-butylthiourea Traditional Name: 1-[[4-(benzylamino)-3-nitro-benzoyl]amino]-3-tert-butyl-thiourea Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O3S/c1-19(2,3)21-18(28)23-22-17(25)14-9-10-15(16(11-14)24(26)27)20-12-13-7-5-4-6-8-13/h4-11,20H,12H2,1-3H3,(H,22,25)(H2,21,23,28)