1-[(E)-[4-(4-oxidanyl-2H-chromen-3-yl)-4-phenyl-3-(piperidin-1-ylmethyl)butan-2-ylidene]amino]thiourea

Systemtic Name: 1-[(E)-[4-(4-oxidanyl-2H-chromen-3-yl)-4-phenyl-3-(piperidin-1-ylmethyl)butan-2-ylidene]amino]thiourea Openeye Name: [(E)-[3-(4-hydroxy-2H-chromen-3-yl)-1-methyl-3-phenyl-2-(1-piperidylmethyl)propylidene]amino]thiourea CAS Name: [(E)-[4-(4-hydroxy-2H-1-benzopyran-3-yl)-4-phenyl-3-(1-piperidinylmethyl)butan-2-ylidene]amino]thiourea IUPAC Name: [(E)-[4-(4-hydroxy-2H-chromen-3-yl)-4-phenyl-3-(piperidin-1-ylmethyl)butan-2-ylidene]amino]thiourea Traditional Name: [(E)-[3-(4-hydroxy-2H-chromen-3-yl)-1-methyl-3-phenyl-2-(piperidinomethyl)propylidene]amino]thiourea Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)C(CN1CCCCC1)C(C2=C(C3=CC=CC=C3OC2)O)C4=CC=CC=C4

Isomeric SMILES

C/C(=N\NC(=S)N)/C(CN1CCCCC1)C(C2=C(C3=CC=CC=C3OC2)O)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-18(28-29-26(27)33)21(16-30-14-8-3-9-15-30)24(19-10-4-2-5-11-19)22-17-32-23-13-7-6-12-20(23)25(22)31/h2,4-7,10-13,21,24,31H,3,8-9,14-17H2,1H3,(H3,27,29,33)/b28-18+