1-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-3-isoamyl-thiourea Formula: C19H29N5O3S MolecularWeight: 407.53026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H29N5O3S/c1-14(2)9-10-20-19(28)22-21-18(25)15-7-8-16(17(13-15)24(26)27)23-11-5-3-4-6-12-23/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,21,25)(H2,20,22,28)