1-[(4-nitrophenyl)carbonylamino]-3-[1-(2-oxidanylnaphthalen-1-yl)butyl]thiourea

Systemtic Name: 1-[(4-nitrophenyl)carbonylamino]-3-[1-(2-oxidanylnaphthalen-1-yl)butyl]thiourea Openeye Name: 1-[1-(2-hydroxy-1-naphthyl)butyl]-3-[(4-nitrobenzoyl)amino]thiourea CAS Name: 1-[1-(2-hydroxy-1-naphthalenyl)butyl]-3-[[(4-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[1-(2-hydroxynaphthalen-1-yl)butyl]-3-[(4-nitrobenzoyl)amino]thiourea Traditional Name: 1-[1-(2-hydroxy-1-naphthyl)butyl]-3-[(4-nitrobenzoyl)amino]thiourea Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC2=CC=CC=C21)O)NC(=S)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(C1=C(C=CC2=CC=CC=C21)O)NC(=S)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c1-2-5-18(20-17-7-4-3-6-14(17)10-13-19(20)27)23-22(31)25-24-21(28)15-8-11-16(12-9-15)26(29)30/h3-4,6-13,18,27H,2,5H2,1H3,(H,24,28)(H2,23,25,31)