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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S/c1-2-3-7-12-21-20(29)24-23-19(26)16-10-11-17(18(13-16)25(27)28)22-14-15-8-5-4-6-9-15/h4-6,8-11,13,22H,2-3,7,12,14H2,1H3,(H,23,26)(H2,21,24,29)