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

Systemtic Name: 1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]thiourea CAS Name: 1-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-benzyl-3-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]thiourea Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NNC(=S)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NNC(=S)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3S/c24-17(21-22-18(27)19-11-12-4-2-1-3-5-12)13-6-9-15(20-14-7-8-14)16(10-13)23(25)26/h1-6,9-10,14,20H,7-8,11H2,(H,21,24)(H2,19,22,27)