1-[[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-3-propan-2-yl-thiourea Openeye Name: 1-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-3-isopropyl-thiourea CAS Name: 1-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoprop-2-enyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acryloyl]amino]-3-isopropyl-thiourea Formula: C16H20ClN3O3S MolecularWeight: 369.8663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C=CC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C)NC(=S)NNC(=O)/C=C/C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C16H20ClN3O3S/c1-10(2)18-16(24)20-19-14(21)5-4-11-8-12(17)15-13(9-11)22-6-3-7-23-15/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,21)(H2,18,20,24)/b5-4+