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

Systemtic Name: 1-(3-methylbutyl)-3-[[3-nitro-4-[(phenylmethyl)amino]phenyl]carbonylamino]thiourea Openeye Name: 1-[[4-(benzylamino)-3-nitro-benzoyl]amino]-3-isopentyl-thiourea CAS Name: 1-(3-methylbutyl)-3-[[[3-nitro-4-[(phenylmethyl)amino]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[[4-(benzylamino)-3-nitrobenzoyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[4-(benzylamino)-3-nitro-benzoyl]amino]-3-isoamyl-thiourea Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S/c1-14(2)10-11-21-20(29)24-23-19(26)16-8-9-17(18(12-16)25(27)28)22-13-15-6-4-3-5-7-15/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,23,26)(H2,21,24,29)