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

Systemtic Name: 1-cyclopentyl-3-[[3-nitro-4-[(phenylmethyl)amino]phenyl]carbonylamino]thiourea Openeye Name: 1-[[4-(benzylamino)-3-nitro-benzoyl]amino]-3-cyclopentyl-thiourea CAS Name: 1-cyclopentyl-3-[[[3-nitro-4-[(phenylmethyl)amino]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[[4-(benzylamino)-3-nitrobenzoyl]amino]-3-cyclopentylthiourea Traditional Name: 1-[[4-(benzylamino)-3-nitro-benzoyl]amino]-3-cyclopentyl-thiourea Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O3S/c26-19(23-24-20(29)22-16-8-4-5-9-16)15-10-11-17(18(12-15)25(27)28)21-13-14-6-2-1-3-7-14/h1-3,6-7,10-12,16,21H,4-5,8-9,13H2,(H,23,26)(H2,22,24,29)