1-[4-[(4-nitrophenyl)amino]butanoylamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[4-[(4-nitrophenyl)amino]butanoylamino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[4-(4-nitroanilino)butanoylamino]thiourea CAS Name: 1-[[4-(4-nitroanilino)-1-oxobutyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[4-(4-nitroanilino)butanoylamino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[4-(4-nitroanilino)butanoylamino]thiourea Formula: C14H21N5O3S MolecularWeight: 339.41324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)CCCNC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=S)NNC(=O)CCCNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H21N5O3S/c1-10(2)16-14(23)18-17-13(20)4-3-9-15-11-5-7-12(8-6-11)19(21)22/h5-8,10,15H,3-4,9H2,1-2H3,(H,17,20)(H2,16,18,23)