1-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-[(E)-(4-ethoxyphenyl)methyleneamino]-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[(E)-(4-ethoxyphenyl)methylideneamino]-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[(E)-(4-ethoxybenzylidene)amino]-3-(4-piperidinosulfonylphenyl)thiourea Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=N/NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N4O3S2/c1-2-28-19-10-6-17(7-11-19)16-22-24-21(29)23-18-8-12-20(13-9-18)30(26,27)25-14-4-3-5-15-25/h6-13,16H,2-5,14-15H2,1H3,(H2,23,24,29)/b22-16+