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

Systemtic Name: [2-[(4-hydroxyphenyl)methyl-phenethyl-amino]-4-phenyl-1,3-thiazol-5-yl]-phenyl-methanone hydrate Openeye Name: [2-[(4-hydroxyphenyl)methyl-phenethyl-amino]-4-phenyl-thiazol-5-yl]-phenyl-methanone hydrate CAS Name: [2-[(4-hydroxyphenyl)methyl-phenethylamino]-4-phenyl-5-thiazolyl]-phenylmethanone hydrate IUPAC Name: [2-[(4-hydroxyphenyl)methyl-phenethylamino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone hydrate Traditional Name: [2-[(4-hydroxybenzyl)-phenethyl-amino]-4-phenyl-thiazol-5-yl]-phenyl-methanone hydrate Formula: C62H54N4O5S2 MolecularWeight: 999.24596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)O)C3=NC(=C(S3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5.C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)O)C3=NC(=C(S3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5.O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)O)C3=NC(=C(S3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5.C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)O)C3=NC(=C(S3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5.O

InChI

InChI=1S/2C31H26N2O2S.H2O/c2*34-27-18-16-24(17-19-27)22-33(21-20-23-10-4-1-5-11-23)31-32-28(25-12-6-2-7-13-25)30(36-31)29(35)26-14-8-3-9-15-26;/h2*1-19,34H,20-22H2;1H2