[2-[butyl-[(4-hydroxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenyl-methanone hydrate

Systemtic Name: [2-[butyl-[(4-hydroxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenyl-methanone hydrate Openeye Name: [2-[butyl-[(4-hydroxyphenyl)methyl]amino]-4-phenyl-thiazol-5-yl]-phenyl-methanone hydrate CAS Name: [2-[butyl-[(4-hydroxyphenyl)methyl]amino]-4-phenyl-5-thiazolyl]-phenylmethanone hydrate IUPAC Name: [2-[butyl-[(4-hydroxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone hydrate Traditional Name: [2-[butyl-(4-hydroxybenzyl)amino]-4-phenyl-thiazol-5-yl]-phenyl-methanone hydrate Formula: C54H54N4O5S2 MolecularWeight: 903.16036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)O)C2=NC(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4.CCCCN(CC1=CC=C(C=C1)O)C2=NC(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4.O

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)O)C2=NC(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4.CCCCN(CC1=CC=C(C=C1)O)C2=NC(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4.O

InChI

InChI=1S/2C27H26N2O2S.H2O/c2*1-2-3-18-29(19-20-14-16-23(30)17-15-20)27-28-24(21-10-6-4-7-11-21)26(32-27)25(31)22-12-8-5-9-13-22;/h2*4-17,30H,2-3,18-19H2,1H3;1H2