1-heptyl-1-[5-[(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)sulfanyl]pentyl]-3-propan-2-yl-urea

Systemtic Name: 1-heptyl-1-[5-[(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)sulfanyl]pentyl]-3-propan-2-yl-urea Openeye Name: 1-heptyl-3-isopropyl-1-[5-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)sulfanyl]pentyl]urea CAS Name: 1-heptyl-1-[5-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)thio]pentyl]-3-propan-2-ylurea IUPAC Name: 1-heptyl-1-[5-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)sulfanyl]pentyl]-3-propan-2-ylurea Traditional Name: 1-heptyl-3-isopropyl-1-[5-[(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)thio]pentyl]urea Formula: C31H44N4O2S MolecularWeight: 536.77166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)C(=O)NC(C)C

Isomeric SMILES

CCCCCCCN(CCCCCSC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)C(=O)NC(C)C

InChI

InChI=1S/C31H44N4O2S/c1-4-5-6-7-14-21-35(31(37)32-24(2)3)22-15-9-16-23-38-30-29(36)33-27-20-13-12-19-26(27)28(34-30)25-17-10-8-11-18-25/h8,10-13,17-20,24,30H,4-7,9,14-16,21-23H2,1-3H3,(H,32,37)(H,33,36)