1-[4-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbonylphenyl]thiourea

Systemtic Name: 1-[4-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbonylphenyl]thiourea Openeye Name: [4-[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidine-1-carbonyl]phenyl]thiourea CAS Name: [4-[[4-[4-(2-nitrophenyl)-2-thiazolyl]-1-piperidinyl]-oxomethyl]phenyl]thiourea IUPAC Name: [4-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]phenyl]thiourea Traditional Name: [4-[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidine-1-carbonyl]phenyl]thiourea Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=C(C=C4)NC(=S)N

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=C(C=C4)NC(=S)N

InChI

InChI=1S/C22H21N5O3S2/c23-22(31)24-16-7-5-15(6-8-16)21(28)26-11-9-14(10-12-26)20-25-18(13-32-20)17-3-1-2-4-19(17)27(29)30/h1-8,13-14H,9-12H2,(H3,23,24,31)